2-[(2S)-4-[[5-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[[5-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopropyl-4-[[5-(piperidin-1-ium-1-ylmethyl)-2-thienyl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[5-(1-piperidin-1-iumylmethyl)-2-thiophenyl]methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[5-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isopropyl-4-[[5-(piperidin-1-ium-1-ylmethyl)-2-thienyl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C20H37N3OS+2 MolecularWeight: 367.59228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=CC=C(S2)C[NH+]3CCCCC3

Isomeric SMILES

CC(C)[NH+]1CCN(C[C@@H]1CCO)CC2=CC=C(S2)C[NH+]3CCCCC3

InChI

InChI=1S/C20H35N3OS/c1-17(2)23-12-11-22(14-18(23)8-13-24)16-20-7-6-19(25-20)15-21-9-4-3-5-10-21/h6-7,17-18,24H,3-5,8-16H2,1-2H3/p+2/t18-/m0/s1